Chemical Properties of Benoxacor (CAS 98730-04-2)

InChI

InChI=1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3

InChI Key

PFJJMJDEVDLPNE-UHFFFAOYSA-N

Formula

C11H11Cl2NO2

SMILES

CC1COc2ccccc2N1C(=O)C(Cl)Cl

Molecular Weight¹

260.12

CAS

98730-04-2

Other Names

• Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)-

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	2.604		Crippen Calculated Property
McVol	173.130	ml/mol	McGowan Calculated Property
Inp	[1853.00; 1853.00]
Inp	1853.00		NIST
Inp	1853.00		NIST

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Similar Compounds

Find more compounds similar to Benoxacor.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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